5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

C16H11FN4O — CID 23725618

IUPAC5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESFc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C16H11FN4O/c17-12-3-1-10(2-4-12)15-9-18-16(22-15)20-13-5-6-14-11(7-13)8-19-21-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyFSJDUGDWHRRNQT-UHFFFAOYSA-N
MW294.29 g/mol
LogP4.10
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 23725618) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID23725618
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESFc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C16H11FN4O/c17-12-3-1-10(2-4-12)15-9-18-16(22-15)20-13-5-6-14-11(7-13)8-19-21-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyFSJDUGDWHRRNQT-UHFFFAOYSA-N
XLogP4.10
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (CID 23725618) is 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is Fc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is FSJDUGDWHRRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-12-3-1-10(2-4-12)15-9-18-16(22-15)20-13-5-6-14-11(7-13)8-19-21-14/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 294.29 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).